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4-Decanol

CAT: 0013-GTR19244210Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244210Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Decanol is an antimutagenic compound, that can be isolated from mustard leaves. 4-Decanol inhibits mutagenic activities of $AFB_1$ and MNNG in Salmonella typhimurium TA100.
CAS Number
2051-31-2
Purity
>98% (HPLC)
Smiles
CCCCCCC (O) CCC
Molecular Formula
C10H22O
Molecular Weight
158.28
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Decan-4-ol

Decan-4-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 4. It has a role as a mammalian metabolite. It is a decanol and a secondary alcohol.

CAS Number2051-31-2
PubChem CID16320
IUPAC Namedecan-4-ol
Molecular FormulaC10H22O
Molecular Weight158.28
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count11
Formal Charge0
Complexity71
SMILES
CCCCCCC(CCC)O
InChI
InChI=1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3
InChIKey
DTDMYWXTWWFLGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decan-4-ol
CAS: 2051-31-2
CID: 16320
Formula: C10H22O
MW: 158.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.28
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass158.167065321
Monoisotopic Mass158.167065321
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity71.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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